3-(2,4-dichlorophenyl)-7-(1,5-dimethoxypentan-3-yl)-8-ethyl-1-methyl-2H-purin-6-one

Systemtic Name: 3-(2,4-dichlorophenyl)-7-(1,5-dimethoxypentan-3-yl)-8-ethyl-1-methyl-2H-purin-6-one Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-[3-methoxy-1-(2-methoxyethyl)propyl]-1-methyl-2H-purin-6-one CAS Name: 3-(2,4-dichlorophenyl)-7-(1,5-dimethoxypentan-3-yl)-8-ethyl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2,4-dichlorophenyl)-7-(1,5-dimethoxypentan-3-yl)-8-ethyl-1-methyl-2H-purin-6-one Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-[3-methoxy-1-(2-methoxyethyl)propyl]-1-methyl-2H-purin-6-one Formula: C21H28Cl2N4O3 MolecularWeight: 455.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(CCOC)CCOC)C(=O)N(CN2C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(CCOC)CCOC)C(=O)N(CN2C3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C21H28Cl2N4O3/c1-5-18-24-20-19(27(18)15(8-10-29-3)9-11-30-4)21(28)25(2)13-26(20)17-7-6-14(22)12-16(17)23/h6-7,12,15H,5,8-11,13H2,1-4H3